SCHEMBL659171

SCHEMBL659171

COc1ccc(C(O)C2CCC(CCOCC(C)(C)[SiH](c3ccccc3)c3ccccc3)CC2)cc1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.34
PDE4A P27815 9/20 0.33
PDE4B Q07343 5/20 0.33
PDE4D Q08499 5/20 0.33
PDE4C Q08493 4/20 0.33
HIF1A Q16665 3/20 0.32
EPAS1 Q99814 2/20 0.32
SOAT2 O75908 1/20 0.32
SOAT1 P35610 1/20 0.32
MDM4 O15151 1/20 0.31
MDM2 Q00987 1/20 0.31
ACHE P22303 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL661650 0.86 KDM1A (0.32) KDM1A
SCHEMBL659170 0.82 PDE4B (0.38) PDE4APDE4BPDE4DPDE4C
SCHEMBL661285 0.75 PDE4D (0.46) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL661555 0.67 PDE4B (0.45) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL661651 0.65 CYP3A4 (0.35) KDM1APDE4APDE4BPDE4DPDE4C
SCHEMBL14042199 0.65 HIF1A (0.46) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL658699 0.64 PDE4D (0.43) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL662935 0.63 CYP3A4 (0.49) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL10106834 0.63 HIF1A (0.35) PDE4APDE4BPDE4DPDE4CHIF1A
SCHEMBL24812331 0.62 FDPS (0.49) PDE4BHIF1AEPAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 KDM1A 4739/4885PDE4A 561/4885PDE4B 823/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.